| CAS Number | 854861-39-5 |
| Catalog Number | AG01EXT3(AGN-PC-3H48DB) |
| Chemical Name | 1-Chloro-4-iodo-2,5-dimethylbenzene |
| IUPAC Name | 1-chloro-4-iodo-2,5-dimethylbenzene |
| InChI | InChI=1S/C8H8ClI/c1-5-4-8(10)6(2)3-7(5)9/h3-4H,1-2H3 |
| InChI Key | RIXURTWFADPUCB-UHFFFAOYSA-N |
| MDL Number | MFCD09955026 |
| Molecular Formula | C8H8ClI |
| Molecular Weight | 266.5066 |
| SMILES | CC1=C(Cl)C=C(C)C(I)=C1 |
| Synonyms | 1-Chloro-4-iodo-2,5-dimethylbenzene,
854861-39-5,
SCHEMBL17752359,
CTK6B5475,
ZINC63148729,
AKOS017555741,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.506g/mol |
| Monoisotopic Mass | 265.936g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number